N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C12H15N3O2S — CID 109388243

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C12H15N3O2S/c1-8(7-16)15(2)12(17)10-6-9(13-14-10)11-4-3-5-18-11/h3-6,8,16H,7H2,1-2H3,(H,13,14)
InChIKeyGTOSBJRBMROLTA-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.59
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 109388243) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID109388243
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C12H15N3O2S/c1-8(7-16)15(2)12(17)10-6-9(13-14-10)11-4-3-5-18-11/h3-6,8,16H,7H2,1-2H3,(H,13,14)
InChIKeyGTOSBJRBMROLTA-UHFFFAOYSA-N
XLogP1.59
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55739896
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55739694
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 87021283
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90549959
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55749353
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 75435793

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 109388243) is N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(CO)N(C)C(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GTOSBJRBMROLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(7-16)15(2)12(17)10-6-9(13-14-10)11-4-3-5-18-11/h3-6,8,16H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 109388243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).